N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide

C14H30N2O2 — CID 113430451

IUPACN-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide
SMILESCC(O)CNCCNC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-11(9-14(3,4)5)8-13(18)16-7-6-15-10-12(2)17/h11-12,15,17H,6-10H2,1-5H3,(H,16,18)
InChIKeyZGWZFQCPJPMYNU-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.54
Rot. Bonds8

About N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide

N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide (PubChem CID 113430451) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide
PubChem CID113430451
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC NameN-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide
SMILESCC(O)CNCCNC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-11(9-14(3,4)5)8-13(18)16-7-6-15-10-12(2)17/h11-12,15,17H,6-10H2,1-5H3,(H,16,18)
InChIKeyZGWZFQCPJPMYNU-UHFFFAOYSA-N
XLogP1.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-3,5,5-trimethylhexanamide
CID 61286860
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
N-(3-aminobutyl)-3,5,5-trimethylhexanamide
CID 63253495
N-(4-hydroxybutyl)-3,5,5-trimethylhexanamide
CID 106843836
N-(3-cyanopropyl)-3,5,5-trimethylhexanamide
CID 62666428
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
6-(propan-2-ylamino)-N-[2-(2,4,4-trimethylpentylamino)ethyl]hexanamide
CID 129083201
N-[3-(cyclopropylamino)propyl]-3,5,5-trimethylhexanamide
CID 43596504
N-(3-azidopropyl)-3,5,5-trimethylhexanamide
CID 61344869
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
3,5,5-trimethylhexanehydrazide
CID 142619235
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide?
The IUPAC name of N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide (CID 113430451) is N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide?
The canonical SMILES for N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide is CC(O)CNCCNC(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide?
The InChIKey is ZGWZFQCPJPMYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-11(9-14(3,4)5)8-13(18)16-7-6-15-10-12(2)17/h11-12,15,17H,6-10H2,1-5H3,(H,16,18).
What are the key properties of N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide?
N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide has a molecular weight of 258.41 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxypropylamino)ethyl]-3,5,5-trimethylhexanamide is sourced from PubChem (CID 113430451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).